ChemSpider 2D Image | 3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,4,5-trimethoxybenzoate | C30H32N2O7

3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID4177707

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,4,5-Triméthoxybenzoate de 3-[1,3-dioxo-6-(1-pipéridinyl)-1H-benzo[de]isoquinoléin-2(3H)-yl]propyle [French] [ACD/IUPAC Name]
3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isochinolin-2(3H)-yl]propyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 3-[1,3-dioxo-6-(1-piperidinyl)-1H-benz[de]isoquinolin-2(3H)-yl]propyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 687.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.6±29.6 °C
Index of Refraction: 1.615
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 526.42
ACD/KOC (pH 5.5): 3078.16
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 531.69
ACD/KOC (pH 7.4): 3108.95
Polar Surface Area: 95 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

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